Properties
| HBA: | 12 | RingCount: | 2 |
| HBD: | 8 | FractionCSP3: | 0.56 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 5 |
| MolWt: | 338.21 | Num_heavy_atoms: | 22 |
| TPSA: | 203.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
AD01700
Formula: C4H5ON4
Smiles:
NC(=O)C1=C(N)[N]C=N1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | -1.75 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.11 | Num_heavy_atoms: | 9 |
| TPSA: | 95.57 | NumAromaticRings: | 0 |
